SCHEMBL22830596

SCHEMBL22830596

CN1C(=O)NC(=O)/C(=C\c2ccc([N+](=O)[O-])o2)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 14/20 1.00
MAPT P10636 13/20 1.00
MEN1 O00255 12/20 1.00
ALDH1A1 P00352 9/20 1.00
POLB P06746 7/20 1.00
L3MBTL1 Q9Y468 6/20 1.00
KDM4E B2RXH2 6/20 1.00
TDP1 Q9NUW8 4/20 1.00
NSD2 O96028 1/20 1.00
DNMT1 P26358 1/20 1.00
RECQL P46063 4/20 0.67
HTT P42858 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
HPGD P15428 1/20 0.62
KDM4C Q9H3R0 1/20 0.62
THRB P10828 2/20 0.60
BLM P54132 1/20 0.60
MCL1 Q07820 1/20 0.60
ATM Q13315 1/20 0.56
MAPK1 P28482 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22830597 1.00 KMT2A (1.00) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL11155676 0.82 MEN1 (0.70) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL5145115 0.81 BRAF (0.68) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL5145120 0.81 BRAF (0.68) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL13044214 0.80 KMT2A (0.67) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL2492676 0.78 MEN1 (0.80) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL2492673 0.78 MEN1 (0.80) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL6397256 0.77 BRAF (0.70) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL6396866 0.77 BRAF (0.70) KMT2AMAPTMEN1ALDH1A1POLB
SCHEMBL5163163 0.77 MEN1 (0.61) KMT2AMAPTMEN1ALDH1A1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12161630-B2 Methods to control infection using new generation small molecule growth inhibitors OHIO STATE INNOVATION FOUNDATION (US) 2024-12-10 US disclosed
US-20230094112-A1 METHODS TO CONTROL INFECTION USING NEW GENERATION SMALL MOLECULE GROWTH INHIBITORS OHIO STATE INNOVATION FOUNDATION 2023-03-30 US disclosed
US-11478454-B2 Methods to control infection using new generation small molecule growth inhibitors OHIO STATE INNOVATION FOUNDATION (US) 2022-10-25 US disclosed
US-20200405691-A1 METHODS TO CONTROL INFECTION USING NEW GENERATION SMALL MOLECULE GROWTH INHIBITORS OHIO STATE INNOVATION FOUNDATION 2020-12-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11478454-B2 Methods to control infection using new generation small molecule growth inhibitors SMURF1, SMURF2, SMYD3 KMT2A 3768/4885MAPT 4195/4885MEN1 1467/4885
US-20230094112-A1 METHODS TO CONTROL INFECTION USING NEW GENERATION SMALL MOLECULE GROWTH INHIBITORS SMURF1, SMURF2, SMYD3 KMT2A 3865/4885MAPT 4163/4885MEN1 1546/4885
US-12161630-B2 Methods to control infection using new generation small molecule growth inhibitors SMURF1, SMURF2, SMYD3 KMT2A 3768/4885MAPT 4195/4885MEN1 1467/4885
US-20200405691-A1 METHODS TO CONTROL INFECTION USING NEW GENERATION SMALL MOLECULE GROWTH INHIBITORS SMURF1, SMURF2, SMYD3 KMT2A 3768/4885MAPT 4195/4885MEN1 1467/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.